#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hcc s PHE 2 N 0.00 -0.32 0.54 4.41 -0.71 -1.26 -5.15 117.98 115.50 2hcc s PHE 2 Ca 0.00 0.33 -0.21 0.00 -1.04 0.00 0.00 56.93 56.01 2hcc s PHE 2 Cb 0.00 0.51 -0.05 0.00 -1.21 0.00 0.00 43.02 42.27 2hcc s PHE 2 CO 0.00 -0.42 1.24 0.00 -1.34 0.00 0.00 175.22 174.69 2hcc s ALA 3 N -2.34 2.74 0.06 1.99 0.00 -1.26 -5.04 121.76 117.92 2hcc s ALA 3 Ca 0.03 1.07 0.02 0.00 0.00 0.00 0.00 51.96 53.09 2hcc s ALA 3 Cb -0.01 -3.46 -0.03 0.00 0.00 0.00 0.00 23.12 19.62 2hcc s ALA 3 CO -0.05 -1.07 -0.08 0.00 0.00 0.00 0.00 175.76 174.56 2hcc s ALA 4 N -1.50 0.69 0.31 0.00 0.00 -1.26 -5.07 121.76 114.92 2hcc s ALA 4 Ca 0.72 -0.92 0.03 0.00 0.00 0.00 0.00 51.96 51.78 2hcc s ALA 4 Cb -0.32 0.07 -0.06 0.00 0.00 0.00 0.00 23.12 22.81 2hcc s ALA 4 CO 0.37 -0.07 0.07 0.34 0.00 0.00 0.00 175.76 176.47 2hcc s ASP 5 N -1.97 2.01 0.16 0.00 2.15 -1.26 -4.99 116.67 112.76 2hcc s ASP 5 Ca -0.04 -1.38 -0.10 0.00 0.43 0.00 0.00 52.55 51.46 2hcc s ASP 5 Cb -0.06 -0.00 -0.00 0.00 -0.30 0.00 0.00 42.92 42.56 2hcc s ASP 5 CO -0.01 -0.65 0.30 0.00 -0.17 0.00 0.00 175.17 174.64 2hcc n THR 8 N 1.27 1.11 -3.45 0.00 -2.24 -1.26 -4.84 114.28 104.87 2hcc n THR 8 Ca -0.22 -0.76 0.00 0.00 -2.27 0.00 0.00 64.05 60.80 2hcc n THR 8 Cb 0.56 -0.45 0.00 0.00 -2.10 0.00 0.00 70.33 68.34 2hcc n THR 8 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2hcc n SER 9 N -2.69 1.34 -1.18 3.42 7.64 -1.26 -5.16 113.62 115.72 2hcc n SER 9 Ca -0.23 -0.45 -0.01 0.00 1.01 0.00 0.00 58.87 59.18 2hcc n SER 9 Cb 1.00 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 64.19 2hcc n SER 9 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 2hcc n TYR 10 N 0.00 -0.52 -1.32 1.43 4.01 -1.26 -4.67 117.16 114.83 2hcc n TYR 10 Ca 0.00 -0.21 -0.31 0.00 -0.16 0.00 0.00 57.90 57.22 2hcc n TYR 10 Cb 0.00 0.05 0.09 0.00 -0.31 0.00 0.00 39.34 39.17 2hcc n TYR 10 CO 0.00 0.00 0.00 0.96 -0.46 0.00 0.00 176.86 177.36 2hcc s ILE 11 N -2.47 3.27 -2.56 -0.72 -0.00 0.14 -4.93 121.20 113.93 2hcc s ILE 11 Ca 0.03 0.44 0.27 0.00 -0.00 0.00 0.00 60.65 61.38 2hcc s ILE 11 Cb -0.00 -2.92 0.41 0.00 -0.00 0.00 0.00 42.46 39.95 2hcc s ILE 11 CO 0.02 -0.51 1.57 -0.24 -0.00 0.00 0.00 174.94 175.78 2hcc n SER 12 N -3.37 1.89 -3.54 4.36 2.88 -1.26 -4.95 113.62 109.64 2hcc n SER 12 Ca 0.09 -1.59 -0.13 0.00 -1.33 0.00 0.00 58.87 55.92 2hcc n SER 12 Cb 0.53 0.03 -0.05 0.00 -0.75 0.00 0.00 64.21 63.96 2hcc n SER 12 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2hcc s GLN 13 N -2.06 1.74 0.54 -1.46 -2.07 -1.26 -5.13 119.66 109.97 2hcc s GLN 13 Ca 0.33 -1.62 -0.18 0.00 -1.82 0.00 0.00 55.36 52.08 2hcc s GLN 13 Cb 0.20 0.43 -0.11 0.00 -1.09 0.00 0.00 33.01 32.45 2hcc s GLN 13 CO 0.35 -0.71 0.35 0.45 -1.32 0.00 0.00 175.29 174.41 2hcc n SER 14 N -1.02 -1.76 -4.74 12.60 2.88 -1.26 -4.84 113.62 115.48 2hcc n SER 14 Ca 0.00 0.72 -0.41 0.00 -1.33 0.00 0.00 58.87 57.85 2hcc n SER 14 Cb 0.62 -1.08 -0.03 0.00 -0.75 0.00 0.00 64.21 62.97 2hcc n SER 14 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 2hcc s ILE 15 N -1.79 3.40 -1.49 2.46 -1.09 -1.26 -4.91 121.20 116.53 2hcc s ILE 15 Ca 0.65 1.18 -0.13 0.00 -2.23 0.00 0.00 60.65 60.12 2hcc s ILE 15 Cb -0.47 -3.75 0.02 0.00 -1.58 0.00 0.00 42.46 36.68 2hcc s ILE 15 CO 0.58 0.19 2.36 -0.81 -1.23 0.00 0.00 174.94 176.02 2hcc n PRO 16 N 2.48 3.00 0.22 2.79 -0.04 -1.26 -4.70 135.00 137.49 2hcc n PRO 16 Ca 0.05 -2.53 0.15 0.00 -0.04 0.00 0.00 63.50 61.13 2hcc n PRO 16 Cb 0.44 -3.20 0.78 0.00 -0.04 0.00 0.00 33.50 31.48 2hcc n PRO 16 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2hcc n SER 18 N -2.55 0.00 0.00 0.00 2.88 -1.26 -2.56 113.62 110.12 2hcc n SER 18 Ca -0.01 -0.46 0.00 0.00 -1.33 0.00 0.00 58.87 57.07 2hcc n SER 18 Cb 0.08 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.54 2hcc n SER 18 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2hcc n LEU 19 N -0.96 0.13 -4.77 2.46 4.77 -0.76 -5.06 117.00 112.82 2hcc n LEU 19 Ca 0.09 -0.13 -0.37 0.00 -0.03 0.00 0.00 56.01 55.57 2hcc n LEU 19 Cb 0.04 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.07 2hcc n LEU 19 CO 0.07 0.03 0.02 -0.04 -1.33 0.00 0.00 177.39 176.14 2hcc s MET 20 N -0.03 4.10 0.05 3.23 -1.94 -1.06 -3.42 119.30 120.23 2hcc s MET 20 Ca 0.00 0.19 0.20 0.00 -1.71 0.00 0.00 55.69 54.38 2hcc s MET 20 Cb 0.00 -3.35 -0.17 0.00 2.01 0.00 0.00 34.83 33.31 2hcc s MET 20 CO 0.00 0.39 0.70 0.36 -0.01 0.00 0.00 175.02 176.46 2hcc n LYS 21 N 3.00 0.64 -3.97 2.03 -0.00 -0.29 -4.86 118.16 114.71 2hcc n LYS 21 Ca -0.13 0.03 -0.11 0.00 -0.00 0.00 0.00 58.31 58.10 2hcc n LYS 21 Cb 0.52 -1.69 -0.02 0.00 -0.00 0.00 0.00 35.03 33.84 2hcc n LYS 21 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 2hcc s SER 22 N -5.19 0.34 -0.01 -5.58 0.15 -1.05 -5.02 113.70 97.34 2hcc s SER 22 Ca -0.05 -1.21 -0.15 0.00 0.70 0.00 0.00 55.95 55.24 2hcc s SER 22 Cb 0.10 0.71 0.02 0.00 -1.71 0.00 0.00 66.02 65.15 2hcc s SER 22 CO 0.84 -1.39 0.33 -0.72 1.20 0.00 0.00 173.24 173.50 2hcc s TYR 23 N -3.08 -0.19 -0.07 3.44 -0.85 -1.26 -1.03 117.35 114.30 2hcc s TYR 23 Ca 0.23 0.27 -0.12 0.00 -0.52 0.00 0.00 57.07 56.93 2hcc s TYR 23 Cb -0.02 0.11 0.02 0.00 0.38 0.00 0.00 41.96 42.45 2hcc s TYR 23 CO 0.14 -0.41 0.29 -0.59 -1.52 0.00 0.00 175.55 173.46 2hcc s PHE 24 N -1.47 -0.25 0.39 -3.49 -0.12 -0.68 -4.94 117.98 107.42 2hcc s PHE 24 Ca -0.12 0.55 -0.05 0.00 -0.05 0.00 0.00 56.93 57.26 2hcc s PHE 24 Cb -0.04 0.09 -0.04 0.00 -0.63 0.00 0.00 43.02 42.40 2hcc s PHE 24 CO 0.04 -0.25 0.67 -1.21 -0.05 0.00 0.00 175.22 174.42 2hcc s GLU 25 N -0.47 3.59 0.05 1.99 2.02 -1.26 -1.40 118.70 123.23 2hcc s GLU 25 Ca -0.06 0.07 -0.01 0.00 0.02 0.00 0.00 54.97 55.00 2hcc s GLU 25 Cb -0.04 -2.52 0.01 0.00 0.10 0.00 0.00 34.13 31.69 2hcc s GLU 25 CO 0.02 0.02 0.07 0.25 0.02 0.00 0.00 175.26 175.63 2hcc n THR 26 N -1.64 0.00 -3.75 3.63 -2.24 -0.24 -4.85 114.28 105.19 2hcc n THR 26 Ca -0.01 -0.05 -0.35 0.00 -2.27 0.00 0.00 64.05 61.37 2hcc n THR 26 Cb 0.55 -1.88 -0.05 0.00 -2.10 0.00 0.00 70.33 66.85 2hcc n THR 26 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2hcc s SER 27 N -1.31 6.51 0.00 3.42 0.01 -1.26 -4.93 113.70 116.14 2hcc s SER 27 Ca 0.04 0.58 0.11 0.00 1.31 0.00 0.00 55.95 58.00 2hcc s SER 27 Cb -0.00 -2.10 0.56 0.00 0.21 0.00 0.00 66.02 64.69 2hcc s SER 27 CO 0.03 0.28 1.28 -0.24 0.41 0.00 0.00 173.24 175.00 2hcc n SER 28 N 1.29 0.00 0.20 2.44 2.88 -1.26 -2.20 113.62 116.97 2hcc n SER 28 Ca -0.13 0.18 0.08 0.00 -1.33 0.00 0.00 58.87 57.67 2hcc n SER 28 Cb 0.53 -0.32 0.33 0.00 -0.75 0.00 0.00 64.21 64.01 2hcc n SER 28 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 2hcc h GLU 29 N 0.00 0.00 -6.99 -1.46 4.57 -1.97 -3.45 114.58 105.28 2hcc h GLU 29 Ca 0.00 0.00 -0.49 0.00 -1.18 0.00 0.00 59.36 57.69 2hcc h GLU 29 Cb 0.12 0.00 0.04 0.00 -0.16 0.00 0.00 28.75 28.75 2hcc h GLU 29 CO 0.00 0.29 0.44 0.00 -1.18 0.00 0.00 179.01 178.57 2hcc n SER 31 N -0.37 0.00 -3.69 0.00 7.64 -1.26 -4.48 113.62 111.47 2hcc n SER 31 Ca 0.07 0.32 -0.12 0.00 1.01 0.00 0.00 58.87 60.14 2hcc n SER 31 Cb 0.49 -0.37 -0.13 0.00 -1.01 0.00 0.00 64.21 63.19 2hcc n SER 31 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2hcc s LYS 32 N -2.74 0.21 0.90 1.43 1.02 -1.26 -5.16 119.74 114.14 2hcc s LYS 32 Ca 0.05 0.70 -0.15 0.00 0.02 0.00 0.00 55.97 56.58 2hcc s LYS 32 Cb 0.04 -0.03 0.22 0.00 -0.52 0.00 0.00 37.83 37.53 2hcc s LYS 32 CO 0.10 -0.22 0.97 -0.35 -0.92 0.00 0.00 175.35 174.93 2hcc n PRO 33 N 4.81 -1.93 0.00 -1.68 -0.04 -1.26 -4.53 135.00 130.36 2hcc n PRO 33 Ca -0.16 -1.53 0.00 0.00 -0.04 0.00 0.00 63.50 61.77 2hcc n PRO 33 Cb 0.52 -1.22 0.00 0.00 -0.04 0.00 0.00 33.50 32.76 2hcc n PRO 33 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2hcc n GLY 34 N -2.73 3.31 3.09 0.55 0.00 -1.26 -4.66 105.19 103.49 2hcc n GLY 34 Ca 0.13 -0.85 -0.27 0.00 0.00 0.00 0.00 46.02 45.03 2hcc n GLY 34 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hcc s VAL 35 N -2.00 1.46 -0.10 1.61 0.11 -0.76 -1.08 120.40 119.63 2hcc s VAL 35 Ca 0.00 -0.67 0.01 0.00 -2.93 0.00 0.00 61.98 58.39 2hcc s VAL 35 Cb 0.00 -1.30 -0.02 0.00 -1.53 0.00 0.00 36.38 33.54 2hcc s VAL 35 CO 0.00 0.43 -0.14 -0.63 -3.33 0.00 0.00 175.10 171.43 2hcc s ILE 36 N 0.55 3.04 -0.04 7.04 1.01 -0.49 -1.60 121.20 130.72 2hcc s ILE 36 Ca -0.16 -0.69 -0.14 0.00 0.00 0.00 0.00 60.65 59.66 2hcc s ILE 36 Cb -0.17 -2.25 -0.05 0.00 0.01 0.00 0.00 42.46 40.00 2hcc s ILE 36 CO 0.06 0.55 0.38 -0.36 0.00 0.00 0.00 174.94 175.57 2hcc s PHE 37 N -0.02 3.67 -0.23 3.97 0.40 -0.88 -1.68 117.98 123.21 2hcc s PHE 37 Ca -0.04 0.91 -0.13 0.00 -0.60 0.00 0.00 56.93 57.07 2hcc s PHE 37 Cb -0.14 -2.29 -0.04 0.00 0.51 0.00 0.00 43.02 41.05 2hcc s PHE 37 CO 0.04 0.57 0.29 -0.51 0.70 0.00 0.00 175.22 176.31 2hcc s LEU 38 N -0.75 4.11 0.13 -0.37 2.01 -0.20 -2.28 118.68 121.33 2hcc s LEU 38 Ca 0.23 0.30 -0.15 0.00 0.01 0.00 0.00 54.13 54.51 2hcc s LEU 38 Cb -0.16 -2.33 -0.07 0.00 0.01 0.00 0.00 46.19 43.65 2hcc s LEU 38 CO 0.11 -0.04 0.55 0.42 1.01 0.00 0.00 176.35 178.41 2hcc s THR 39 N 1.38 4.83 0.41 5.49 -4.23 -0.75 -1.13 115.64 121.64 2hcc s THR 39 Ca 0.13 0.91 0.17 0.00 -1.18 0.00 0.00 61.69 61.72 2hcc s THR 39 Cb -0.15 -3.77 0.18 0.00 1.34 0.00 0.00 72.50 70.11 2hcc s THR 39 CO 0.07 0.31 1.96 0.50 -0.54 0.00 0.00 174.62 176.91 2hcc h LYS 40 N 3.76 0.00 0.00 3.99 3.11 -1.89 -1.52 116.57 124.02 2hcc h LYS 40 Ca -0.49 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.35 2hcc h LYS 40 Cb 1.20 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.43 2hcc h LYS 40 CO 0.65 0.23 0.00 1.17 -2.81 0.00 0.00 179.45 178.69 2hcc n LYS 41 N -4.10 0.27 -0.55 1.90 4.81 -1.26 -4.84 118.16 114.39 2hcc n LYS 41 Ca -0.02 0.12 0.00 0.00 -0.87 0.00 0.00 58.31 57.53 2hcc n LYS 41 Cb 0.29 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 33.84 2hcc n LYS 41 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2hcc n GLY 42 N 0.06 0.74 3.54 3.14 0.00 -0.57 -5.12 105.19 106.96 2hcc n GLY 42 Ca 0.08 -0.60 -0.12 0.00 0.00 0.00 0.00 46.02 45.38 2hcc n GLY 42 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2hcc s ARG 43 N -2.36 1.78 -0.10 1.61 3.00 -1.22 -4.97 118.95 116.69 2hcc s ARG 43 Ca 0.00 -1.55 -0.06 0.00 -1.00 0.00 0.00 55.73 53.11 2hcc s ARG 43 Cb 0.00 0.46 0.04 0.00 0.00 0.00 0.00 34.95 35.45 2hcc s ARG 43 CO 0.00 -0.74 0.24 1.14 0.00 0.00 0.00 175.30 175.94 2hcc s GLN 44 N -3.37 0.23 -0.02 5.12 -2.07 -1.26 -1.81 119.66 116.48 2hcc s GLN 44 Ca 0.27 0.44 0.04 0.00 -1.82 0.00 0.00 55.36 54.29 2hcc s GLN 44 Cb -0.01 -0.01 -0.03 0.00 -1.09 0.00 0.00 33.01 31.87 2hcc s GLN 44 CO 0.15 -0.11 -0.13 0.08 -1.32 0.00 0.00 175.29 173.96 2hcc s VAL 45 N 0.77 3.14 -0.26 3.63 1.01 -0.97 -4.94 120.40 122.77 2hcc s VAL 45 Ca -0.05 -0.82 -0.05 0.00 0.00 0.00 0.00 61.98 61.06 2hcc s VAL 45 Cb -0.07 -2.27 0.00 0.00 0.00 0.00 0.00 36.38 34.04 2hcc s VAL 45 CO -0.05 0.51 0.02 0.00 0.00 0.00 0.00 175.10 175.58 2hcc s ALA 47 N 1.47 2.26 1.16 0.00 0.00 -0.63 0.27 121.76 126.30 2hcc s ALA 47 Ca 0.03 -1.56 -0.15 0.00 0.00 0.00 0.00 51.96 50.29 2hcc s ALA 47 Cb -0.16 -0.26 0.22 0.00 0.00 0.00 0.00 23.12 22.92 2hcc s ALA 47 CO -0.00 0.33 0.63 1.63 0.00 0.00 0.00 175.76 178.36 2hcc n LYS 48 N 0.30 -2.19 0.04 0.00 5.02 -1.26 -1.83 118.16 118.24 2hcc n LYS 48 Ca -0.13 -0.61 -0.07 0.00 -2.02 0.00 0.00 58.31 55.47 2hcc n LYS 48 Cb 0.56 -1.99 0.10 0.00 -0.02 0.00 0.00 35.03 33.68 2hcc n LYS 48 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 2hcc h PRO 49 N -2.48 0.42 0.00 1.97 0.13 -1.90 -3.25 132.00 126.89 2hcc h PRO 49 Ca -0.59 -0.26 -0.00 0.00 -0.87 0.00 0.00 66.00 64.28 2hcc h PRO 49 Cb 1.34 0.03 -0.00 0.00 0.13 0.00 0.00 31.00 32.50 2hcc h PRO 49 CO 0.45 0.86 -0.10 0.43 -0.23 0.00 0.00 178.00 179.41 2hcc n SER 50 N -3.94 2.14 -4.48 1.44 7.64 -1.26 -4.82 113.62 110.35 2hcc n SER 50 Ca -0.03 -3.14 -0.44 0.00 1.01 0.00 0.00 58.87 56.28 2hcc n SER 50 Cb 0.59 -0.43 -0.01 0.00 -1.01 0.00 0.00 64.21 63.35 2hcc n SER 50 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2hcc n GLY 51 N -1.31 -1.25 3.55 0.23 0.00 -1.23 -4.75 105.19 100.43 2hcc n GLY 51 Ca 0.16 0.17 -0.38 0.00 0.00 0.00 0.00 46.02 45.97 2hcc n GLY 51 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2hcc s PRO 52 N -1.46 2.57 0.00 1.61 0.04 -1.26 -2.14 135.00 134.36 2hcc s PRO 52 Ca 0.62 0.67 0.00 0.00 0.04 0.00 0.00 61.00 62.33 2hcc s PRO 52 Cb -0.69 -4.42 0.00 0.00 0.04 0.00 0.00 34.50 29.43 2hcc s PRO 52 CO 0.58 -2.80 0.00 0.41 0.04 0.00 0.00 177.00 175.23 2hcc n GLY 53 N 5.75 1.65 0.20 0.56 0.00 -1.26 -4.85 105.19 107.23 2hcc n GLY 53 Ca 0.22 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.15 2hcc n GLY 53 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2hcc h VAL 54 N 0.00 1.20 -0.48 1.61 2.07 -1.77 0.75 116.25 119.64 2hcc h VAL 54 Ca 0.00 -0.65 -0.13 0.00 0.82 0.00 0.00 66.70 66.74 2hcc h VAL 54 Cb 0.00 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 2hcc h VAL 54 CO 0.00 0.23 -0.21 -0.61 0.02 0.00 0.00 177.57 177.00 2hcc h GLN 55 N 0.52 0.98 0.00 1.57 5.75 -1.88 -1.79 115.11 120.27 2hcc h GLN 55 Ca 0.14 -0.42 -0.03 0.00 -0.15 0.00 0.00 58.65 58.19 2hcc h GLN 55 Cb 0.21 -0.04 -0.00 0.00 1.07 0.00 0.00 27.48 28.72 2hcc h GLN 55 CO -0.01 1.09 -0.14 0.22 -2.65 0.00 0.00 178.83 177.34 2hcc h ASP 56 N 0.85 0.00 0.11 -0.69 1.82 -1.83 -0.94 116.42 115.74 2hcc h ASP 56 Ca 0.11 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.75 2hcc h ASP 56 Cb 0.79 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.80 2hcc h ASP 56 CO 0.07 0.14 -0.06 0.00 -1.61 0.00 0.00 179.24 177.78 2hcc h MET 58 N -0.50 0.00 -0.25 0.00 2.86 -1.12 -2.47 114.93 113.45 2hcc h MET 58 Ca -0.02 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.60 2hcc h MET 58 Cb 0.41 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.06 2hcc h MET 58 CO 0.03 0.20 0.04 -0.22 1.06 0.00 0.00 176.91 178.02 2hcc h LYS 59 N 0.00 0.41 0.00 1.72 3.11 -0.97 -2.60 116.57 118.24 2hcc h LYS 59 Ca -0.00 -0.11 -0.07 0.00 -2.81 0.00 0.00 60.65 57.66 2hcc h LYS 59 Cb 0.54 -0.05 -0.01 0.00 -1.00 0.00 0.00 32.23 31.72 2hcc h LYS 59 CO 0.03 0.53 -0.35 -0.22 -2.81 0.00 0.00 179.45 176.63 2hcc h LYS 60 N 0.22 0.00 0.00 1.90 3.11 -1.21 -2.46 116.57 118.12 2hcc h LYS 60 Ca 0.07 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.91 2hcc h LYS 60 Cb 0.32 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.55 2hcc h LYS 60 CO 0.00 0.35 0.00 -0.11 -2.81 0.00 0.00 179.45 176.89 2hcc n LEU 61 N -3.76 0.00 -4.67 5.20 7.94 -0.95 -4.84 117.00 115.92 2hcc n LEU 61 Ca -0.01 0.00 -0.46 0.00 -1.11 0.00 0.00 56.01 54.43 2hcc n LEU 61 Cb 0.44 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 44.35 2hcc n LEU 61 CO 0.37 0.00 1.23 0.29 -1.11 0.00 0.00 177.39 178.17 2hcc n LYS 62 N -0.85 2.20 -1.39 1.96 4.76 -0.93 -4.94 118.16 118.96 2hcc n LYS 62 Ca 0.13 0.79 -0.30 0.00 -2.87 0.00 0.00 58.31 56.06 2hcc n LYS 62 Cb 0.06 -2.57 0.11 0.00 -1.84 0.00 0.00 35.03 30.78 2hcc n LYS 62 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 2hcc s PRO 63 N 1.18 1.83 0.00 1.97 0.04 -1.26 -4.99 135.00 133.76 2hcc s PRO 63 Ca 0.80 0.78 0.00 0.00 0.04 0.00 0.00 61.00 62.61 2hcc s PRO 63 Cb -0.67 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.00 2hcc s PRO 63 CO 0.38 -1.83 0.47 0.66 0.04 0.00 0.00 177.00 176.72 2hcc n TYR 64 N -3.60 0.00 -3.98 0.56 4.02 -1.26 -5.11 117.16 107.79 2hcc n TYR 64 Ca 0.07 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.87 2hcc n TYR 64 Cb 0.55 0.05 -0.08 0.00 -0.02 0.00 0.00 39.34 39.85 2hcc n TYR 64 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 2hcc s SER 65 N -0.18 0.10 0.00 7.72 0.15 -1.26 -5.36 113.70 114.87 2hcc s SER 65 Ca 0.00 -0.90 0.00 0.00 0.70 0.00 0.00 55.95 55.75 2hcc s SER 65 Cb 0.00 0.40 0.00 0.00 -1.71 0.00 0.00 66.02 64.71 2hcc s SER 65 CO 0.00 -0.84 0.00 -0.38 1.20 0.00 0.00 173.24 173.22